N-ethyl-4-propoxy-N-pyrrolidin-3-ylbenzenesulfonamide

C15H24N2O3S — CID 63299303

IUPACN-ethyl-4-propoxy-N-pyrrolidin-3-ylbenzenesulfonamide
SMILESCCCOc1ccc(S(=O)(=O)N(CC)C2CCNC2)cc1
InChIInChI=1S/C15H24N2O3S/c1-3-11-20-14-5-7-15(8-6-14)21(18,19)17(4-2)13-9-10-16-12-13/h5-8,13,16H,3-4,9-12H2,1-2H3
InChIKeyYKYSGFYWNNLOSX-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.85
Rot. Bonds7

About N-ethyl-4-propoxy-N-pyrrolidin-3-ylbenzenesulfonamide

N-ethyl-4-propoxy-N-pyrrolidin-3-ylbenzenesulfonamide (PubChem CID 63299303) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-ethyl-4-propoxy-N-pyrrolidin-3-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-4-propoxy-N-pyrrolidin-3-ylbenzenesulfonamide
PubChem CID63299303
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-ethyl-4-propoxy-N-pyrrolidin-3-ylbenzenesulfonamide
SMILESCCCOc1ccc(S(=O)(=O)N(CC)C2CCNC2)cc1
InChIInChI=1S/C15H24N2O3S/c1-3-11-20-14-5-7-15(8-6-14)21(18,19)17(4-2)13-9-10-16-12-13/h5-8,13,16H,3-4,9-12H2,1-2H3
InChIKeyYKYSGFYWNNLOSX-UHFFFAOYSA-N
XLogP1.85
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-N-ethyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63299749
N-piperidin-4-yl-4-propoxy-N-propylbenzenesulfonamide
CID 119993786
N-ethyl-4-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide
CID 60806159
4-chloro-N-ethyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63299171
N,4-diethyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 55205527
N-ethyl-N-pyrrolidin-3-yl-4-(trifluoromethyl)benzenesulfonamide
CID 63299124
4-ethoxy-N-pyrrolidin-3-yl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;hydrochloride
CID 146065088
4-propoxy-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide
CID 80563620
N-ethyl-N-[2-(4-methoxyphenoxy)ethyl]pyrrolidin-3-amine
CID 63300307
N-(azetidin-3-yl)-N-ethyl-4-methylsulfonylbenzenesulfonamide
CID 66184477
N-(azetidin-3-yl)-N-ethyl-4-iodobenzenesulfonamide
CID 66183635
N-(azepan-4-yl)-4-ethoxy-N-methylbenzenesulfonamide
CID 107173129

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-propoxy-N-pyrrolidin-3-ylbenzenesulfonamide?
The IUPAC name of N-ethyl-4-propoxy-N-pyrrolidin-3-ylbenzenesulfonamide (CID 63299303) is N-ethyl-4-propoxy-N-pyrrolidin-3-ylbenzenesulfonamide.
What is the SMILES notation for N-ethyl-4-propoxy-N-pyrrolidin-3-ylbenzenesulfonamide?
The canonical SMILES for N-ethyl-4-propoxy-N-pyrrolidin-3-ylbenzenesulfonamide is CCCOc1ccc(S(=O)(=O)N(CC)C2CCNC2)cc1.
What is the InChIKey of N-ethyl-4-propoxy-N-pyrrolidin-3-ylbenzenesulfonamide?
The InChIKey is YKYSGFYWNNLOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-3-11-20-14-5-7-15(8-6-14)21(18,19)17(4-2)13-9-10-16-12-13/h5-8,13,16H,3-4,9-12H2,1-2H3.
What are the key properties of N-ethyl-4-propoxy-N-pyrrolidin-3-ylbenzenesulfonamide?
N-ethyl-4-propoxy-N-pyrrolidin-3-ylbenzenesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-propoxy-N-pyrrolidin-3-ylbenzenesulfonamide is sourced from PubChem (CID 63299303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).